SrZn
SrZn is a thermodynamically stable metallic compound composed of strontium and zinc.
About SrZn
SrZn is a metallic intermetallic compound formed from strontium and zinc. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of these two elements, reflecting a favorable energetic state in its crystalline configuration. Its metallic nature is consistent with the typical behavior of alkaline earth-transition metal alloys, which often exhibit high electrical conductivity and characteristic structural motifs. The material is a subject of significant interest in crystallography and solid-state chemistry, supported by a substantial body of reported structural data across multiple databases. This wealth of information underscores its importance as a benchmark for understanding bonding and stability in binary metallic systems.
Key Properties
Cross-validated computational properties for SrZn, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SrZn. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for SrZn, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -12.213 | 4.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.56 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.99 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.27 |
| No. 0 | unknown | — | — | — | 0.87 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 4.28 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 3.56 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 3.37 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.29 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.05 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.03 |
Applications
Where SrZn is used.
Frequently Asked Questions
Common questions about SrZn, answered from cross-validated data.
What is SrZn?
SrZn is a thermodynamically stable metallic compound composed of strontium and zinc.
What is SrZn used for?
What is the band gap of SrZn?
Is SrZn a metal, semiconductor, or insulator?
Is SrZn thermodynamically stable?
What is the crystal structure of SrZn?
What is the density of SrZn?
How many polymorphs of SrZn are known?
What elements does SrZn contain?
Where does the data for SrZn come from?
How It Compares
As a stable binary intermetallic, SrZn serves as a foundational example of structural diversity within its class, demonstrating how strontium and zinc organize into well-defined, persistent phases that are highly favored under standard conditions.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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